Mrv1652306031606562D          

 18 19  0  0  0  0            999 V2000
   -0.2549    0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242    0.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2549   -2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8242   -2.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4849   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -1.3349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692   -1.3349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0619    0.9561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312    0.9561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0619   -2.2910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312   -2.2910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3099   -0.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8792   -0.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0  0  0  0
  9  1  1  0  0  0  0
  9  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  2  1  0  0  0  0
 10  5  1  0  0  0  0
 10  8  1  0  0  0  0
 11  3  1  0  0  0  0
 11  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  4  1  0  0  0  0
 12  6  1  0  0  0  0
 12  8  1  0  0  0  0
 13  1  1  0  0  0  0
 14  2  1  0  0  0  0
 15  3  1  0  0  0  0
 16  4  1  0  0  0  0
 17  7  2  0  0  0  0
 18  8  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM012693

> <DATABASE_NAME>
chemdb

> <SMILES>
OCN1C2C(N(CO)C1=O)N(CO)C(=O)N2CO

> <INCHI_IDENTIFIER>
InChI=1S/C8H14N4O6/c13-1-9-5-6(11(3-15)7(9)17)12(4-16)8(18)10(5)2-14/h5-6,13-16H,1-4H2

> <INCHI_KEY>
UUGLSEIATNSHRI-UHFFFAOYSA-N

> <FORMULA>
C8H14N4O6

> <MOLECULAR_WEIGHT>
262.222

> <EXACT_MASS>
262.091334187

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
32

> <JCHEM_AVERAGE_POLARIZABILITY>
23.6681742621559

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1,3,4,6-tetrakis(hydroxymethyl)-octahydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione

> <ALOGPS_LOGP>
-2.47

> <JCHEM_LOGP>
-3.121082166

> <ALOGPS_LOGS>
-0.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.778827115980459

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.35282490952613

> <JCHEM_PKA_STRONGEST_BASIC>
-3.2559333443664187

> <JCHEM_POLAR_SURFACE_AREA>
128.02

> <JCHEM_REFRACTIVITY>
53.4342

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.52e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1,3,4,6-tetrakis(hydroxymethyl)-dihydro-[1,3]diazolo[4,5-d]imidazole-2,5-dione

> <JCHEM_VEBER_RULE>
0

> <NAME>
Imidazo[4,5-d]imidazole-2,5(1H,3H)-dione, tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)-

> <CAS>
5395-50-6

> <SYNONYMS>
Tetrahydro-1,3,4,6-tetrakis(hydroxymethyl)imidazo[4,5-d]imidazole-2,5(1H,3H)- dione

$$$$